Abstract

We present a new and general mechanism for inter-conversion of carbon structures via a catalytic exchange process, which operates under conditions of Frenkel pair generation. The mechanism typically lowers reaction barriers by a factor of four compared to equivalent uncatalysed reactions. We examine the relevance of this mechanism for fullerene growth, carbon onions and nanotubes, and dislocations in irradiated graphite. (C) 2002 Elsevier Science B.V, All rights reserved.

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Article

Additional Information:

MIH directed all the work and co-authored this paper (PR Briddon credited for AIMPRO code). Our 1996 Science paper gave a low energy route for the Stone-Wales transformation in fullerenes. Here first principles methods established a new route with a much lower barrier. Cited 24 times.